methyl 2-methylimino-1,3-thiazolidine-4-carboxylate;molecular iodine

C6H10I2N2O2S — CID 161321709

IUPACmethyl 2-methylimino-1,3-thiazolidine-4-carboxylate;molecular iodine
SMILESC/N=C1/NC(C(=O)OC)CS1.II
InChIInChI=1S/C6H10N2O2S.I2/c1-7-6-8-4(3-11-6)5(9)10-2;1-2/h4H,3H2,1-2H3,(H,7,8);
InChIKeyVKFPDKMGTYBVBV-UHFFFAOYSA-N
MW428.03 g/mol
LogP1.62
Rot. Bonds1

About methyl 2-methylimino-1,3-thiazolidine-4-carboxylate;molecular iodine

methyl 2-methylimino-1,3-thiazolidine-4-carboxylate;molecular iodine (PubChem CID 161321709) has the molecular formula C6H10I2N2O2S and a molecular weight of 428.03 g/mol. Its IUPAC name is methyl 2-methylimino-1,3-thiazolidine-4-carboxylate;molecular iodine.

Molecular Properties

Compound Namemethyl 2-methylimino-1,3-thiazolidine-4-carboxylate;molecular iodine
PubChem CID161321709
Molecular FormulaC6H10I2N2O2S
Molecular Weight428.03 g/mol
Exact Mass427.86
IUPAC Namemethyl 2-methylimino-1,3-thiazolidine-4-carboxylate;molecular iodine
SMILESC/N=C1/NC(C(=O)OC)CS1.II
InChIInChI=1S/C6H10N2O2S.I2/c1-7-6-8-4(3-11-6)5(9)10-2;1-2/h4H,3H2,1-2H3,(H,7,8);
InChIKeyVKFPDKMGTYBVBV-UHFFFAOYSA-N
XLogP1.62
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.03
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

Methyl 2-methylimino-1,3-thiazolidine-4-carboxylate
CID 135829631
Methyl 2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]acetate
CID 43439915
Ethyl 2-(4,5-dihydro-1,3-thiazol-2-ylamino)propanoate
CID 61498975
ethyl 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)propanoate
CID 61498976
Ethyl 2-[(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate
CID 61498977
Ethyl 2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate
CID 61499026
Ethyl 2-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate
CID 61499027
methyl 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)propanoate
CID 61499343
Methyl 2-[(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate
CID 61499344
Methyl 2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate
CID 61499372
Methyl 2-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate
CID 61499373
Methyl 2-(4,5-dihydro-1,3-thiazol-2-ylamino)propanoate
CID 61499839

Frequently Asked Questions

What is the IUPAC name of methyl 2-methylimino-1,3-thiazolidine-4-carboxylate;molecular iodine?
The IUPAC name of methyl 2-methylimino-1,3-thiazolidine-4-carboxylate;molecular iodine (CID 161321709) is methyl 2-methylimino-1,3-thiazolidine-4-carboxylate;molecular iodine.
What is the SMILES notation for methyl 2-methylimino-1,3-thiazolidine-4-carboxylate;molecular iodine?
The canonical SMILES for methyl 2-methylimino-1,3-thiazolidine-4-carboxylate;molecular iodine is C/N=C1/NC(C(=O)OC)CS1.II.
What is the InChIKey of methyl 2-methylimino-1,3-thiazolidine-4-carboxylate;molecular iodine?
The InChIKey is VKFPDKMGTYBVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2S.I2/c1-7-6-8-4(3-11-6)5(9)10-2;1-2/h4H,3H2,1-2H3,(H,7,8);.
What are the key properties of methyl 2-methylimino-1,3-thiazolidine-4-carboxylate;molecular iodine?
methyl 2-methylimino-1,3-thiazolidine-4-carboxylate;molecular iodine has a molecular weight of 428.03 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methylimino-1,3-thiazolidine-4-carboxylate;molecular iodine is sourced from PubChem (CID 161321709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).